40789-98-8
| Name | 3-Mercapto-2-butanone |
| CAS | 40789-98-8 |
| EINECS(EC#) | 255-082-2 |
| Molecular Formula | C4H8OS |
| MDL Number | MFCD00085206 |
| Molecular Weight | 104.17 |
| MOL File | 40789-98-8.mol |
Chemical Properties
| Boiling point | 48-49 °C/15 mmHg (lit.) |
| density | 1.035 g/mL at 25 °C(lit.) |
| FEMA | 3298 |
| refractive index | n20/D 1.4352 |
| Fp | 117 °F |
| storage temp. | Refrigerator |
| form | clear liquid |
| pka | 8.38±0.10(Predicted) |
| color | Colorless to Light yellow |
| Specific Gravity | 1.015 |
| Odor | at 0.10 % in propylene glycol. sulfurous onion roasted gassy meaty |
| biological source | synthetic |
| Odor Type | sulfurous |
| Sensitive | Light Sensitive |
| JECFA Number | 558 |
| Major Application | flavors and fragrances |
| InChI | 1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3 |
| InChIKey | XLMPYCGSRHSSSX-UHFFFAOYSA-N |
| SMILES | CC(S)C(C)=O |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1993 3/PG 2 |
| WGK Germany | 3 |
| RTECS | EL9050000 |
| TSCA | Yes |
| REACH Registrations | Active |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |